Monomers
Triallyl citrate
Identifiers
IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
42 41 0 0 0 0 0 0 0 0999 V2000
1.0328 5.4435 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5175 4.2143 -0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4131 3.4195 0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6952 2.2314 0.3365 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4325 1.2752 1.3034 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8274 1.4293 2.4705 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3460 0.0688 0.8452 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6233 0.6044 0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5318 -0.4393 -0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2315 -1.6465 -0.1727 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7184 -0.0729 -0.8138 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6770 -0.9620 -1.3373 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2071 -1.9169 -0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4978 -1.9493 -0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4864 -0.5308 -0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 -0.8971 0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1259 -0.7054 1.4983 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7775 -1.4689 -0.5395 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0551 -1.8135 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9145 -2.4087 -1.0444 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3907 -3.6353 -0.9355 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5405 -0.7975 1.8848 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5189 5.9277 0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1037 6.0325 -1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0126 3.7871 -1.4893 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3844 3.1677 1.0688 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8037 3.9796 1.3669 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4081 1.3661 -0.5227 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2099 1.1689 1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4865 -0.3380 -1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1848 -1.4606 -2.2198 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5528 -2.6080 0.1309 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9496 -2.6394 0.6197 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2097 -1.2667 -0.5747 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0412 -1.4712 -0.6468 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5865 0.1470 -1.1243 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9038 -2.4973 0.8621 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5143 -0.8861 0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1535 -1.8226 -1.9231 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0144 -4.0747 -1.6999 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1563 -4.2270 -0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3167 -1.7273 1.7266 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 3
7 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 3
7 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
3 26 1 0
3 27 1 0
8 28 1 0
8 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
19 37 1 0
19 38 1 0
20 39 1 0
21 40 1 0
21 41 1 0
22 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers